5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C9H4ClF3N4O2 — CID 103294248

IUPAC5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn(-c2cccnn2)c1Cl
InChIInChI=1S/C9H4ClF3N4O2/c10-7-5(8(18)19)6(9(11,12)13)16-17(7)4-2-1-3-14-15-4/h1-3H,(H,18,19)
InChIKeyLAVLTAGJBCJGML-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 103294248) has the molecular formula C9H4ClF3N4O2 and a molecular weight of 292.60 g/mol. Its IUPAC name is 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID103294248
Molecular FormulaC9H4ClF3N4O2
Molecular Weight292.60 g/mol
Exact Mass292.00
IUPAC Name5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn(-c2cccnn2)c1Cl
InChIInChI=1S/C9H4ClF3N4O2/c10-7-5(8(18)19)6(9(11,12)13)16-17(7)4-2-1-3-14-15-4/h1-3H,(H,18,19)
InChIKeyLAVLTAGJBCJGML-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-pyrimidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 79823184
5-chloro-1-pyrazin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 81043507
5-chloro-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 82880954
5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 43381634
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
5-chloro-1-[(2-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63272194
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
3-tert-butyl-5-chloro-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543122
5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
CID 103294132
4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 103293828
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63276738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 103294248) is 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn(-c2cccnn2)c1Cl.
What is the InChIKey of 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is LAVLTAGJBCJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4O2/c10-7-5(8(18)19)6(9(11,12)13)16-17(7)4-2-1-3-14-15-4/h1-3H,(H,18,19).
What are the key properties of 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 292.60 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 103294248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).